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Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods.

Vishwesh VenkatramanVioleta I. Pérez-NuenoLazaros MavridisDavid W. Ritchie
Published in: J. Chem. Inf. Model. (2010)
Keyphrases
  • data sets
  • real world
  • high dimensional data
  • virtual screening
  • chemical structures
  • feature space
  • high throughput
  • statistical methods
  • computational methods